(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C13H9ClF4N2 — CID 102710002

IUPAC(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1cnccc1C(F)(F)F)c1c(F)cccc1Cl
InChIInChI=1S/C13H9ClF4N2/c14-9-2-1-3-10(15)11(9)12(19)7-6-20-5-4-8(7)13(16,17)18/h1-6,12H,19H2
InChIKeyKBZWBBYZOYLQGD-UHFFFAOYSA-N
MW304.67 g/mol
LogP3.94
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102710002) has the molecular formula C13H9ClF4N2 and a molecular weight of 304.67 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102710002
Molecular FormulaC13H9ClF4N2
Molecular Weight304.67 g/mol
Exact Mass304.04
IUPAC Name(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1cnccc1C(F)(F)F)c1c(F)cccc1Cl
InChIInChI=1S/C13H9ClF4N2/c14-9-2-1-3-10(15)11(9)12(19)7-6-20-5-4-8(7)13(16,17)18/h1-6,12H,19H2
InChIKeyKBZWBBYZOYLQGD-UHFFFAOYSA-N
XLogP3.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.67
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
1-(2,6-dichlorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709752
(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708429
2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102710047
(5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708383
1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708195
(2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107291671
(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708360
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708046
[4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 102709995

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of (2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102710002) is (2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is NC(c1cnccc1C(F)(F)F)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is KBZWBBYZOYLQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF4N2/c14-9-2-1-3-10(15)11(9)12(19)7-6-20-5-4-8(7)13(16,17)18/h1-6,12H,19H2.
What are the key properties of (2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 304.67 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102710002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).